tert-butyl N-[[5-(carbamothioylamino)-2-pyrrol-1-yl-phenyl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

Systemtic Name: tert-butyl N-[[5-(carbamothioylamino)-2-pyrrol-1-yl-phenyl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate Openeye Name: tert-butyl N-tert-butoxycarbonyl-N-[[5-(carbamothioylamino)-2-pyrrol-1-yl-phenyl]methyl]carbamate CAS Name: N-[[5-(carbamothioylamino)-2-(1-pyrrolyl)phenyl]methyl]-N-[(2-methylpropan-2-yl)oxy-oxomethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[5-(carbamothioylamino)-2-pyrrol-1-ylphenyl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate Traditional Name: N-tert-butoxycarbonyl-N-(2-pyrrol-1-yl-5-thioureido-benzyl)carbamic acid tert-butyl ester Formula: C22H30N4O4S MolecularWeight: 446.563

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(CC1=C(C=CC(=C1)NC(=S)N)N2C=CC=C2)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)N(CC1=C(C=CC(=C1)NC(=S)N)N2C=CC=C2)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H30N4O4S/c1-21(2,3)29-19(27)26(20(28)30-22(4,5)6)14-15-13-16(24-18(23)31)9-10-17(15)25-11-7-8-12-25/h7-13H,14H2,1-6H3,(H3,23,24,31)